1,2-dimethyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]imidazole-4-sulfonamide

C20H18N4O2S2 — CID 122286498

IUPAC1,2-dimethyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]imidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)Nc2ccc(-c3csc(-c4ccccc4)n3)cc2)cn1C
InChIInChI=1S/C20H18N4O2S2/c1-14-21-19(12-24(14)2)28(25,26)23-17-10-8-15(9-11-17)18-13-27-20(22-18)16-6-4-3-5-7-16/h3-13,23H,1-2H3
InChIKeyWFZMRIRLPXXDMF-UHFFFAOYSA-N
MW410.52 g/mol
LogP4.32
Rot. Bonds5

About 1,2-dimethyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]imidazole-4-sulfonamide

1,2-dimethyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]imidazole-4-sulfonamide (PubChem CID 122286498) has the molecular formula C20H18N4O2S2 and a molecular weight of 410.52 g/mol. Its IUPAC name is 1,2-dimethyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name1,2-dimethyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]imidazole-4-sulfonamide
PubChem CID122286498
Molecular FormulaC20H18N4O2S2
Molecular Weight410.52 g/mol
Exact Mass410.09
IUPAC Name1,2-dimethyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]imidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)Nc2ccc(-c3csc(-c4ccccc4)n3)cc2)cn1C
InChIInChI=1S/C20H18N4O2S2/c1-14-21-19(12-24(14)2)28(25,26)23-17-10-8-15(9-11-17)18-13-27-20(22-18)16-6-4-3-5-7-16/h3-13,23H,1-2H3
InChIKeyWFZMRIRLPXXDMF-UHFFFAOYSA-N
XLogP4.32
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,2-dimethyl-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]imidazole-4-sulfonamide
CID 122286251
1-ethyl-2-methyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]imidazole-4-sulfonamide
CID 122286504
N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,2-oxazole-4-sulfonamide
CID 122286500
4-methoxy-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 1203751
2-fluoro-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 122286327
N-[4-(2-chloroethyl)phenyl]-1,2-dimethylimidazole-4-sulfonamide
CID 65031315
1,2-dimethyl-N-phenyl-5-(4-phenyl-1,3-thiazol-2-yl)pyrrole-3-sulfonamide
CID 53035430
1,2-dimethyl-N-[4-(trifluoromethyl)phenyl]imidazole-4-sulfonamide
CID 47092092
4-[(2-phenyl-1,3-thiazol-4-yl)sulfonylamino]benzoic acid
CID 167475368
3-nitro-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 58874615
1-methyl-N-(4-phenylphenyl)imidazole-4-sulfonamide
CID 46897915
N-[4-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]phenyl]methanesulfonamide
CID 9330105

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]imidazole-4-sulfonamide?
The IUPAC name of 1,2-dimethyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]imidazole-4-sulfonamide (CID 122286498) is 1,2-dimethyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]imidazole-4-sulfonamide.
What is the SMILES notation for 1,2-dimethyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]imidazole-4-sulfonamide?
The canonical SMILES for 1,2-dimethyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]imidazole-4-sulfonamide is Cc1nc(S(=O)(=O)Nc2ccc(-c3csc(-c4ccccc4)n3)cc2)cn1C.
What is the InChIKey of 1,2-dimethyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]imidazole-4-sulfonamide?
The InChIKey is WFZMRIRLPXXDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2S2/c1-14-21-19(12-24(14)2)28(25,26)23-17-10-8-15(9-11-17)18-13-27-20(22-18)16-6-4-3-5-7-16/h3-13,23H,1-2H3.
What are the key properties of 1,2-dimethyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]imidazole-4-sulfonamide?
1,2-dimethyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]imidazole-4-sulfonamide has a molecular weight of 410.52 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]imidazole-4-sulfonamide is sourced from PubChem (CID 122286498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).